CID 20271388

Methyl 2-hydroxy-2-(pyridin-2-yl)propanoate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(C1=CC=CC=N1)(C(=O)OC)O
InChI
InChI=1S/C9H11NO3/c1-9(12,8(11)13-2)7-5-3-4-6-10-7/h3-6,12H,1-2H3
InChIKey
NNCWNFDMEUWHDI-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-2-pyridin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.6
[M+Na]+ 204.06312 145.0
[M-H]- 180.06662 138.7
[M+NH4]+ 199.10772 155.5
[M+K]+ 220.03706 144.0
[M+H-H2O]+ 164.07116 131.7
[M+HCOO]- 226.07210 157.7
[M+CH3COO]- 240.08775 177.0
[M+Na-2H]- 202.04857 144.9
[M]+ 181.07335 138.6
[M]- 181.07445 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe